cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine

C13H23N3O2 — CID 64539222

IUPACcyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOC(C)c1noc(C(N)C2CCCCC2)n1
InChIInChI=1S/C13H23N3O2/c1-3-17-9(2)12-15-13(18-16-12)11(14)10-7-5-4-6-8-10/h9-11H,3-8,14H2,1-2H3
InChIKeyDUMHAXGQHYFCDE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.75
Rot. Bonds5

About cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine

cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 64539222) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID64539222
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Namecyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOC(C)c1noc(C(N)C2CCCCC2)n1
InChIInChI=1S/C13H23N3O2/c1-3-17-9(2)12-15-13(18-16-12)11(14)10-7-5-4-6-8-10/h9-11H,3-8,14H2,1-2H3
InChIKeyDUMHAXGQHYFCDE-UHFFFAOYSA-N
XLogP2.75
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 64539222) is cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine is CCOC(C)c1noc(C(N)C2CCCCC2)n1.
What is the InChIKey of cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is DUMHAXGQHYFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-17-9(2)12-15-13(18-16-12)11(14)10-7-5-4-6-8-10/h9-11H,3-8,14H2,1-2H3.
What are the key properties of cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 64539222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).